SCHEMBL1748255

SCHEMBL1748255

COc1ccc2nc(Nc3ccc(Br)cc3F)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.60
RAB9A P51151 14/20 0.60
MAPT P10636 13/20 0.60
MEN1 O00255 13/20 0.60
KMT2A Q03164 13/20 0.60
SMN1; SMN2 Q16637 12/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
GFER P55789 1/20 0.60
ALDH1A1 P00352 7/20 0.56
HTT P42858 5/20 0.56
GAA P10253 2/20 0.56
CLK1 P49759 1/20 0.54
HPGD P15428 6/20 0.52
KDM4E B2RXH2 5/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1748062 0.86 DGAT1 (0.55) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12593856 0.84 NPC1 (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1748057 0.84 MAPT (0.58) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL12428710 0.81 HSD17B1 (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14880886 0.81 MAPT (0.84) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1748356 0.81 RAB9A (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1307056 0.80 MAPT (0.82) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1747973 0.80 NPC1 (0.56) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1747917 0.80 DYRK1A (0.51) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10081064 0.78 PIK3CG (0.61) NPC1RAB9AMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885MAPT 4379/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885MAPT 4379/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885MAPT 4379/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885MAPT 4379/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885MAPT 4379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.